2-Aminobenzonitrile
Properties
- Molecular formula
- C7H6N2
- Molar mass
- 118.14 g/mol
- Exact mass
- 118.0531 Da
- Melting point
- 51 °C
- Boiling point
- 263 °C
- logP
- 1.14Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed31% of notifiers
- H312 Harmful in contact with skin30.4% of notifiers
- H315 Causes skin irritation31.6% of notifiers
- H317 May cause an allergic skin reaction29.7% of notifiers
- H319 Causes serious eye irritation97.5% of notifiers
- H332 Harmful if inhaled31% of notifiers
- H335 May cause respiratory irritation30.4% of notifiers
Aggregated from 158 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1885-29-6SMILES
N#Cc1ccccc1NInChIKey
HLCPWBZNUKCSBN-UHFFFAOYSA-NInChI
InChI=1S/C7H6N2/c8-5-6-3-1-2-4-7(6)9/h1-4H,9H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzonitrile, 2-amino-
- Anthranilonitrile
- o-Aminobenzonitrile
- 2-Cyano-1-aminobenzene
- 2-Cyanoaniline
- o-Cyanoaniline
- 2-Cyanophenylamine
- 1-Amino-2-cyanobenzene
Work with 2-Aminobenzonitrile
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Phthalonitrile91-15-660 % similar
2-Amino-4-methylbenzonitrile26830-96-657 % similar
2-Amino-5-methylbenzonitrile5925-93-957 % similar
4,5-Diamino-1,2-benzenedicarbonitrile129365-93-157 % similar
2,5-Diaminobenzonitrile14346-13-556 % similar
3-Amino-2-pyridinecarbonitrile42242-11-554 % similar
3-Amino-4-cyanopyridine78790-79-154 % similar
2-Amino-4-chlorobenzonitrile38487-86-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-4
Pyridin-4-yl-acetonitrile13121-99-8
6-Methylpyridine-2-carbonitrile1620-75-3
4-Methyl-2-pyridinecarbonitrile1620-76-4
5-Methyl-2-pyridinecarbonitrile1620-77-5
2-Methylpyridine-3-carbonitrile1721-23-9
3-Methylpyridine-2-carbonitrile20970-75-6
4-Cyano-2-methylpyridine2214-53-1